N-tert-butyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine

C19H40N2 — CID 63494862

IUPACN-tert-butyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
SMILESCCC(CC)(CNC(C)(C)C)CN(C)C1CCC(C)CC1
InChIInChI=1S/C19H40N2/c1-8-19(9-2,14-20-18(4,5)6)15-21(7)17-12-10-16(3)11-13-17/h16-17,20H,8-15H2,1-7H3
InChIKeyNKFHGQHYPZVTTN-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.69
Rot. Bonds7

About N-tert-butyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine

N-tert-butyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine (PubChem CID 63494862) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is N-tert-butyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
PubChem CID63494862
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC NameN-tert-butyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
SMILESCCC(CC)(CNC(C)(C)C)CN(C)C1CCC(C)CC1
InChIInChI=1S/C19H40N2/c1-8-19(9-2,14-20-18(4,5)6)15-21(7)17-12-10-16(3)11-13-17/h16-17,20H,8-15H2,1-7H3
InChIKeyNKFHGQHYPZVTTN-UHFFFAOYSA-N
XLogP4.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine?
The IUPAC name of N-tert-butyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine (CID 63494862) is N-tert-butyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine?
The canonical SMILES for N-tert-butyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine is CCC(CC)(CNC(C)(C)C)CN(C)C1CCC(C)CC1.
What is the InChIKey of N-tert-butyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine?
The InChIKey is NKFHGQHYPZVTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-8-19(9-2,14-20-18(4,5)6)15-21(7)17-12-10-16(3)11-13-17/h16-17,20H,8-15H2,1-7H3.
What are the key properties of N-tert-butyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine?
N-tert-butyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine has a molecular weight of 296.54 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine is sourced from PubChem (CID 63494862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).